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CHEBI:31647 - gemcitabine hydrochloride
| Formula | H.C9H11F2N3O4.Cl |
| Net Charge | 0 |
| Average Mass | 299.661 |
| Monoisotopic Mass | 299.04844 |
| SMILES | Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)c(=O)n1.[Cl-].[H+] |
| InChI | InChI=1S/C9H11F2N3O4.ClH/c10-9(11)6(16)4(3-15)18-7(9)14-2-1-5(12)13-8(14)17;/h1-2,4,6-7,15-16H,3H2,(H2,12,13,17);1H/t4-,6-,7-;/m1./s1 |
| InChIKey | OKKDEIYWILRZIA-OSZBKLCCSA-N |
| Roles Classification |
|---|
| Biological Roles: | antimetabolite A substance which is structurally similar to a metabolite but which competes with it or replaces it, and so prevents or reduces its normal utilization. antiviral drug A substance used in the prophylaxis or therapy of virus diseases. anticoronaviral agent Any antiviral agent which inhibits the activity of coronaviruses. immunosuppressive agent An agent that suppresses immune function by one of several mechanisms of action. Classical cytotoxic immunosuppressants act by inhibiting DNA synthesis. Others may act through activation of T-cells or by inhibiting the activation of helper cells. In addition, an immunosuppressive agent is a role played by a compound which is exhibited by a capability to diminish the extent and/or voracity of an immune response. EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor An EC 1.17.* (oxidoreductase acting on CH or CH2) inhibitor that inhibits the action of ribonucleoside-diphosphate reductase (EC 1.17.4.1). |
| Applications: | antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. antiviral drug A substance used in the prophylaxis or therapy of virus diseases. radiosensitizing agent A drug that makes increases the sensitivity of tumour cells to radiation therapy. immunosuppressive agent An agent that suppresses immune function by one of several mechanisms of action. Classical cytotoxic immunosuppressants act by inhibiting DNA synthesis. Others may act through activation of T-cells or by inhibiting the activation of helper cells. In addition, an immunosuppressive agent is a role played by a compound which is exhibited by a capability to diminish the extent and/or voracity of an immune response. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| gemcitabine hydrochloride (CHEBI:31647) has part gemcitabine (CHEBI:175901) |
| gemcitabine hydrochloride (CHEBI:31647) has role anticoronaviral agent (CHEBI:149553) |
| gemcitabine hydrochloride (CHEBI:31647) has role antimetabolite (CHEBI:35221) |
| gemcitabine hydrochloride (CHEBI:31647) has role antineoplastic agent (CHEBI:35610) |
| gemcitabine hydrochloride (CHEBI:31647) has role antiviral drug (CHEBI:36044) |
| gemcitabine hydrochloride (CHEBI:31647) has role EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor (CHEBI:74213) |
| gemcitabine hydrochloride (CHEBI:31647) has role immunosuppressive agent (CHEBI:35705) |
| gemcitabine hydrochloride (CHEBI:31647) has role radiosensitizing agent (CHEBI:132992) |
| gemcitabine hydrochloride (CHEBI:31647) is a hydrochloride (CHEBI:36807) |
| gemcitabine hydrochloride (CHEBI:31647) is a organofluorine compound (CHEBI:37143) |
| IUPAC Name |
|---|
| 2'-deoxy-2',2'-difluorocytidine hydrochloride |
| Synonyms | Source |
|---|---|
| 2',2'-Difluorodeoxycytidine monohydrochloride | ChemIDplus |
| 2'-Deoxy-2',2'-difluorocytidine monohydrochloride | ChemIDplus |
| Gemcitabine HCl | ChemIDplus |
| Registry Numbers | Sources |
|---|---|
| Beilstein:5386970 | Beilstein |
| CAS:122111-03-9 | KEGG DRUG |
| CAS:122111-03-9 | ChemIDplus |